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1-Bromo-2-phenoxybenzene

CAT: 0572-TRC-B687268-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-B687268-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
7025-06-1
Synonyms
Benzene, 1-bromo-2-phenoxy-; Ether, o-bromophenyl phenyl (6CI,7CI,8CI); 1-Bromo-2-phenoxybenzene; 2-Bromodiphenyl ether; 2-Bromophenyl phenyl ether; 2-Phenoxy-1-bromobenzene; 2-Phenoxybromobenzene; BDE 1; PBDE 1; o-Bromophenyl phenyl ether
Hazard Statement
Harmful if swallowed; UN number: UN3077; Packing Group: III
Purity
>95% (HPLC)
Smiles
Brc1ccccc1Oc2ccccc2
Molecular Formula
C12 H9 Br O
Molecular Weight
249.1
InChI
InChI=1S/C12H9BrO/c13-11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-9H
Additionnal Information
IUPAC name: 1-bromo-2-phenoxybenzene
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

1-Bromo-2-phenoxy-benzene
CAS Number7025-06-1
PubChem CID37483
IUPAC Name1-bromo-2-phenoxybenzene
Molecular FormulaC12H9BrO
Molecular Weight249.10
XLogP3.8
Topological Polar Surface Area9.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count14
Formal Charge0
Complexity166
SMILES
C1=CC=C(C=C1)OC2=CC=CC=C2Br
InChI
InChI=1S/C12H9BrO/c13-11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-9H
InChIKey
RRWFUWRLNIZICP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Bromo-2-phenoxy-benzene
CAS: 7025-06-1
CID: 37483
Formula: C12H9BrO
MW: 249.10
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight249.10
XLogP33.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass247.98368
Monoisotopic Mass247.98368
Topological Polar Surface Area9.2 Ų
Heavy Atom Count14
Formal Charge0
Complexity166
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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